Geometry & MOs

Info

ID:	225908
PubChem CID:	87246411
Reduced:	NC2O4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	624.93236
ΔH_f, kcal/mol:	-168.84
Dipole, Da:	2.1
IP(EA), eV:	-10.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[[5-[2,6-dibromo-4-(1-hydroxy-1-phosphorosoethyl)phenoxy]-2-hydroxybenzoyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

C(CO)O.C(CO[N+](=O)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations